(E)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide
Formula:C20H20NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C20H20NO3ClS |
| Smiles | O=C(/C=C/c1ccccc1)N(Cc1cccc(Cl)c1)C(CC1)CS1(=O)=O |
| InChI | InChI=1S/C20H20ClNO3S/c21-18-8-4-7-17(13-18)14-22(19-11-12-26(24,25)15-19)20(23)10-9-16-5-2-1-3-6-16/h1-10,13,19H,11-12,14-15H2/t19-/m0/s1 |
| InChIK | ZEJQHLCXHQSYPY-IBGZPJMESA-N |
| TotalMolweight | 389.902 |
| Molweight | 389.902 |
| MonoisotopicMass | 389.085241 |
| CLogP | 3.0819 |
| CLogS | -4.232 |
| H Acceptors | 4 |
| TotalSurfaceArea | 285.61 |
| Relative PSA | 0.15815 |
| PolarSurfaceArea | 62.83 |
| Druglikeness | -2.0993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide | 2 - (E)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide
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